3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide

C26H23N3O3S — CID 92505181

IUPAC3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c2)cc1
InChIInChI=1S/C26H23N3O3S/c1-19-5-11-25(12-6-19)33(31,32)29-24-4-2-3-22(18-24)26(30)28-23-9-7-20(8-10-23)17-21-13-15-27-16-14-21/h2-16,18,29H,17H2,1H3,(H,28,30)
InChIKeyOMSKQOOTJVSACN-UHFFFAOYSA-N
MW457.56 g/mol
LogP5.03
Rot. Bonds7

About 3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide

3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide (PubChem CID 92505181) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
PubChem CID92505181
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c2)cc1
InChIInChI=1S/C26H23N3O3S/c1-19-5-11-25(12-6-19)33(31,32)29-24-4-2-3-22(18-24)26(30)28-23-9-7-20(8-10-23)17-21-13-15-27-16-14-21/h2-16,18,29H,17H2,1H3,(H,28,30)
InChIKeyOMSKQOOTJVSACN-UHFFFAOYSA-N
XLogP5.03
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
N-(4-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008
3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 47092083
3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide
CID 9412821
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55649936
N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 16803037
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164338
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3918199
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 6493247

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide (CID 92505181) is 3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The InChIKey is OMSKQOOTJVSACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c1-19-5-11-25(12-6-19)33(31,32)29-24-4-2-3-22(18-24)26(30)28-23-9-7-20(8-10-23)17-21-13-15-27-16-14-21/h2-16,18,29H,17H2,1H3,(H,28,30).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide has a molecular weight of 457.56 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 92505181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).